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Compound Detail

CHEMBL5218860

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C[C@@]12COC(=O)[C@]1(C)[C@H]1CC[C@@H]2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5218860
Phase Preclinical
Structure Type MOL
InChI Key WXGJFHJYRUHNRW-MBLNEYKQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

182.2
MW (Da)
1.12
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H14O3
MW 182.22
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 2.47

Literature References

PubMed DOI Target Context # Activities
33454654 10.1016/j.bmc.2021.116012 Unchecked 2
33454654 10.1016/j.bmc.2021.116012 HepG2 1
33454654 10.1016/j.bmc.2021.116012 HL-60 1
33454654 10.1016/j.bmc.2021.116012 KB 3-1 1

Data from ChEMBL 36 via Core Engine